BDBM26546 (3R)-1-[(4-{[4-(piperidin-1-yl)but-2-yn-1-yl]oxy}benzene)sulfonyl]pyrrolidine-3-thiol::thiol-arylsulfonamide, 12a

SMILES S[C@@H]1CCN(C1)S(=O)(=O)c1ccc(OCC#CCN2CCCCC2)cc1

InChI Key InChIKey=WQXRLQZSXRETEV-GOSISDBHSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 26546   

LigandPNGBDBM26546((3R)-1-[(4-{[4-(piperidin-1-yl)but-2-yn-1-yl]oxy}b...)
Affinity DataKi:  530nM ΔG°:  -8.47kcal/molepH: 7.5 T: 22°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed